SCHEMBL2828902

SCHEMBL2828902

COC(COc1ccc(C2=CCC(c3ccc(OCC(OC)C4(C)CO4)cc3)CC2)cc1)C1(C)CO1

nearest known ligand 0.31

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.31
CASP3 P42574 1/20 0.31
RAB9A P51151 1/20 0.31
SENP8 Q96LD8 1/20 0.31
NLRP3 Q96P20 1/20 0.31
SENP7 Q9BQF6 1/20 0.31
SENP6 Q9GZR1 1/20 0.31
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPK1 P28482 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2721199 0.91 MCHR1 (0.32)
SCHEMBL2719431 0.83 RAB9A (0.35) RAB9A
SCHEMBL2719320 0.79 ALDH1A1 (0.38) NPC1RAB9AALDH1A1
SCHEMBL2825825 0.78 NPC1 (0.31) NPC1CASP3RAB9ASENP8NLRP3
SCHEMBL4182186 0.77 HRH3 (0.35) NPC1CASP3RAB9ASENP8NLRP3
SCHEMBL2828904 0.76 HRH3 (0.32) NPC1CASP3RAB9ASENP8NLRP3
SCHEMBL22269082 0.73 ALDH1A1 (0.51) NPC1RAB9AMEN1ALDH1A1MAPK1
SCHEMBL2721657 0.73 MCHR1 (0.38)
SCHEMBL2828901 0.72
SCHEMBL2729618 0.72 MCHR1 (0.31)

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100144926-A1 EPOXY RESIN COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-06-10 US disclosed
EP-2133379-A1 EPOXY RESIN COMPOSITION Sumitomo Chemical Company, Limited (JP) 2009-12-16 EP disclosed
EP-2133380-A1 RESIN COMPOSITION Sumitomo Chemical Company, Limited (JP) 2009-12-16 EP disclosed
US-20090054669-A1 Process For Producing Epoxy Compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-02-26 US disclosed
US-20090018355-A1 Process for Crystallizing an Epoxy Compound SUMITOMO CHEMICAL COMPANY, LTD. 2009-01-15 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090018355-A1 Process for Crystallizing an Epoxy Compound PTGER1, NR5A1, TCP1 NPC1 1690/4885CASP3 2499/4885RAB9A 3113/4885
US-20090054669-A1 Process For Producing Epoxy Compound RER1, AR, CYP1A1 NPC1 3654/4885CASP3 2090/4885RAB9A 1772/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.